화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2022년 봄 (04/20 ~ 04/23, 제주국제컨벤션센터)
권호 28권 1호, p.64
발표분야 [주제 1] 계산화학
제목 Molecular modeling of protein corona for drug delivery applications
초록 The size, conformation, and surface properties of nanoparticles have been optimized for drug delivery applications. However, when nanoparticles flow through the bloodstream, they interact with various plasma proteins, leading to the formation of the protein layer on top of the particle surface, a process called protein corona. This protein-corona formation influences the conformation and surface properties of nanoparticles, which may increase or reduce the targeting efficiency. To understand this, we performed molecular dynamics simulations of plasma proteins adsorbed onto cationic, anionic, and neutral nanoparticles. The following topics will be presented: (1) the formation of protein corona via the adsorption competition between plasma proteins; (2) the effect of protein corona on diffusivity and hydrodynamics of the nanoparticle; (3) the effect of protein corona on the binding between nanoparticle and cell membrane. This work aids in the rational design of the nanoparticle-protein complex for drug delivery applications.
저자 이환규
소속 단국대
키워드 열역학분자모사(Thermodynamics)
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